2-methylidene-5-oxidanyl-3-(2-oxidanylpropyl)heptanoic acid

Systemtic Name: 2-methylidene-5-oxidanyl-3-(2-oxidanylpropyl)heptanoic acid Openeye Name: 5-hydroxy-3-(2-hydroxypropyl)-2-methylene-heptanoic acid CAS Name: 5-hydroxy-3-(2-hydroxypropyl)-2-methyleneheptanoic acid IUPAC Name: 5-hydroxy-3-(2-hydroxypropyl)-2-methylideneheptanoic acid Traditional Name: 2-[3-hydroxy-1-(2-hydroxypropyl)pentyl]acrylic acid Formula: C11H20O4 MolecularWeight: 216.2741

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)O)C(=C)C(=O)O)O

Isomeric SMILES

CCC(CC(CC(C)O)C(=C)C(=O)O)O

InChI

InChI=1S/C11H20O4/c1-4-10(13)6-9(5-7(2)12)8(3)11(14)15/h7,9-10,12-13H,3-6H2,1-2H3,(H,14,15)